N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide

C14H12N4O3 — CID 90561959

IUPACN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2ccno2)n1
InChIInChI=1S/C14H12N4O3/c1-9-16-13(21-18-9)8-10-4-2-3-5-11(10)17-14(19)12-6-7-15-20-12/h2-7H,8H2,1H3,(H,17,19)
InChIKeyPASJWWGNWFCBCU-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.21
Rot. Bonds4

About N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide

N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 90561959) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID90561959
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC NameN-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1noc(Cc2ccccc2NC(=O)c2ccno2)n1
InChIInChI=1S/C14H12N4O3/c1-9-16-13(21-18-9)8-10-4-2-3-5-11(10)17-14(19)12-6-7-15-20-12/h2-7H,8H2,1H3,(H,17,19)
InChIKeyPASJWWGNWFCBCU-UHFFFAOYSA-N
XLogP2.21
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]furan-2-carboxamide
CID 90562077
N-(2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 110693633
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazine-2-carboxamide
CID 90562098
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-4-phenylbenzamide
CID 90562049
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-(4-methylphenyl)urea
CID 90562124
2-methoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyridine-3-carboxamide
CID 71800432
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90562094
N-[2-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 71800425
2,4-dichloro-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562040
2-ethoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562020
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pentanamide
CID 90561999
4-butoxy-N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 90562023

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide (CID 90561959) is N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide is Cc1noc(Cc2ccccc2NC(=O)c2ccno2)n1.
What is the InChIKey of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is PASJWWGNWFCBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-16-13(21-18-9)8-10-4-2-3-5-11(10)17-14(19)12-6-7-15-20-12/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide?
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 284.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90561959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).